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1-(Tert-butoxycarbonyl)-7-phenylthioindoline

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(Tert-butoxycarbonyl)-7-phenylthioindoline
SpectraBase Compound ID DLqOIAZLvc
InChI InChI=1S/C19H21NO2S/c1-19(2,3)22-18(21)20-13-12-14-8-7-11-16(17(14)20)23-15-9-5-4-6-10-15/h4-11H,12-13H2,1-3H3
InChIKey BCUUQEXXTTVGGX-UHFFFAOYSA-N
Mol Weight 327.44 g/mol
Molecular Formula C19H21NO2S
Exact Mass 327.1293 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3O3LtFbKLvc
Name 1-(Tert-butoxycarbonyl)-7-phenylthioindoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.129300092 u
Formula C19H21NO2S
InChI InChI=1S/C19H21NO2S/c1-19(2,3)22-18(21)20-13-12-14-8-7-11-16(17(14)20)23-15-9-5-4-6-10-15/h4-11H,12-13H2,1-3H3
InChIKey BCUUQEXXTTVGGX-UHFFFAOYSA-N
Molecular Weight 327.442 g/mol
SMILES C(N1C=2C(SC3=CC=CC=C3)=CC=CC2CC1)(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935627